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Chemical ID: 5569684
Chemical ID:
5569684
Name [?]:
None
SMILES [?]:
c1c2c(cc3c1NC(=O)CC3)NC(=O)CC2
InChi [?]:
InChI=1/C12H12N2O2/c15-11-3-1-7-5-10-8(6-9(7)13-11)2-4-12(16)14-10/h5-6H,1-4H2,(H,13,15)(H,14,16)
InChi Info:
AuxInfo=1/1/N:11,16,10,15,4,1,5,2,6,3,8,13,7,12,9,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16nCCCCCCNCOCCNCOCC/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s5s10;s3;s12;d13;s13;s2s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12N2O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.27104 |
Area: | 371.776 |
Solvation: | -3.02338 |
Coulombic: | -37.8428 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 216.236 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | -0.12 |
LogP (Chemaxon): | 1.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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